CID 10745152

Pseudodysidenin

Structural Information

Molecular Formula
C17H23Cl6N3O2S
SMILES
C[C@@H](C[C@@H](C(=O)N(C)[C@@H](C)C1=NC=CS1)NC(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(25-13(27)8-10(2)17(21,22)23)15(28)26(4)11(3)14-24-5-6-29-14/h5-6,9-12H,7-8H2,1-4H3,(H,25,27)/t9-,10-,11-,12-/m0/s1
InChIKey
MBVQTLXBQHZLRO-BJDJZHNGSA-N
Compound name
(2S,4S)-5,5,5-trichloro-N,4-dimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-2-[[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

542.96423 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.97151 212.1
[M+Na]+ 565.95345 212.5
[M-H]- 541.95695 209.9
[M+NH4]+ 560.99805 218.6
[M+K]+ 581.92739 210.3
[M+H-H2O]+ 525.96149 208.8
[M+HCOO]- 587.96243 194.5
[M+CH3COO]- 601.97808 242.7
[M+Na-2H]- 563.93890 202.9
[M]+ 542.96368 212.5
[M]- 542.96478 212.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.